LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# sample surface deposition script for atoms

units		lj
atom_style      atomic
boundary        p p f

lattice		fcc 1.0
Lattice spacing in x,y,z = 1.5874 1.5874 1.5874
region          box block 0 5 0 5 0 10
create_box      2 box
Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
  1 by 1 by 1 MPI processor grid

region		substrate block INF INF INF INF INF 3
create_atoms	1 region substrate
Created 350 atoms
  Time spent = 0.000444174 secs

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0
pair_coeff	1 2 1.0 1.0 5.0
mass		* 1.0

neigh_modify	delay 0

group		addatoms type 2
0 atoms in group addatoms
region          mobile block 0 5 0 5 2 INF
group		mobile region mobile
150 atoms in group mobile

compute		add addatoms temp
compute_modify	add dynamic/dof yes extra/dof 0

fix		1 addatoms nve
fix		2 mobile langevin 1.0 1.0 0.1 587283
fix		3 mobile nve

region          slab block 0 5 0 5 8 9
fix		4 addatoms deposit 100 2 100 12345 region slab near 1.0                 vz -1.0 -1.0
fix		5 addatoms wall/reflect zhi EDGE

thermo_style	custom step atoms temp epair etotal press
thermo          100
thermo_modify	temp add
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)

#dump		1 all atom 50 dump.deposit.atom

#dump		2 all image 50 image.*.jpg type type #		axes yes 0.8 0.02 view 80 -30
#dump_modify	2 pad 5

#dump		3 all movie 50 movie.mpg type type #		axes yes 0.8 0.02 view 80 -30
#dump_modify	3 pad 5

run             10000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 3 3 6
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.126 | 3.126 | 3.126 Mbytes
Step Atoms Temp E_pair TotEng Press 
       0      350            0   -6.9215833   -6.9215833   -1.0052629 
     100      351   0.83994737   -6.3459678   -6.3423783  -0.12047746 
     200      352   0.83994737   -6.2377119   -6.2305533   -0.3420432 
     300      353   0.84063802    -6.102615   -6.0918986  -0.40610132 
     400      354   0.84248131   -6.0284461   -6.0141667  -0.46041042 
     500      355   0.84689832   -5.9201486   -5.9022564  -0.44565465 
     600      356   0.86694405   -5.8676653   -5.8457482  -0.45310439 
     700      357   0.93585062   -5.8080247   -5.7804997   -0.4235135 
     800      358   0.87721962   -5.7667317   -5.7373277  -0.47514081 
     900      359   0.98586832   -5.7397849   -5.7027118  -0.53506606 
    1000      360    1.1977372   -5.7043822   -5.6544765   -0.5143915 
    1100      361   0.86840339   -5.6974093   -5.6577177  -0.57133639 
    1200      362   0.91410157   -5.6449104   -5.5994579  -0.54863872 
    1300      363    1.0317704   -5.6108925   -5.5554668  -0.63480165 
    1400      364   0.78937966   -5.5995247   -5.5539836  -0.54633211 
    1500      365    1.0022364    -5.592367   -5.5305854  -0.61542058 
    1600      366      1.36861   -5.5602006   -5.4704557   -0.5557092 
    1700      367    1.2584928   -5.6125569   -5.5251139  -0.54474262 
    1800      368    1.2395052   -5.5575635   -5.4666216  -0.39432632 
    1900      369    1.4424114   -5.5511809   -5.4397751  -0.39219555 
    2000      370    1.0355115   -5.5657056   -5.4817452  -0.42684751 
    2100      371    1.0710232    -5.621664   -5.5307281  -0.60685079 
    2200      372    1.1723348   -5.5425772   -5.4385798  -0.53815496 
    2300      373    1.0854557   -5.6087637   -5.5083664   -0.6673737 
    2400      374    1.1021474   -5.5084817   -5.4023926  -0.52097006 
    2500      375    1.2269861   -5.4265984   -5.3038998  -0.49657196 
    2600      376    1.0399561    -5.476211   -5.3683432  -0.62204748 
    2700      377    1.0944051   -5.4078459   -5.2902772  -0.63977962 
    2800      378    1.0323162   -5.3957488    -5.281047  -0.62614071 
    2900      379    1.1065509   -5.3744068   -5.2474017  -0.57270098 
    3000      380    1.0280773   -5.3681364   -5.2463904  -0.66444652 
    3100      381      1.04368   -5.3317133   -5.2043351  -0.65414012 
    3200      382    1.0449176   -5.3088894   -5.1775909  -0.63418281 
    3300      383    1.1102316   -5.2604462   -5.1169568  -0.57913921 
    3400      384    1.2757372   -5.2904271   -5.1209933  -0.56059979 
    3500      385    1.0652825   -5.2267633   -5.0814975  -0.54269026 
    3600      386    1.0229877   -5.2277887   -5.0846764  -0.61796376 
    3700      387   0.96408893   -5.1769745   -5.0387137  -0.55113976 
    3800      388    1.0505509   -5.2197338   -5.0654003  -0.70804854 
    3900      389   0.95266837   -5.1605736    -5.017306  -0.52702995 
    4000      390    1.0413134   -5.2352309   -5.0750288  -0.66067611 
    4100      391    1.1486876   -5.2288717   -5.0481958  -0.65810366 
    4200      392     1.042156   -5.2716813   -5.1041919  -0.66967821 
    4300      393    0.9698966    -5.197189   -5.0380075  -0.46525386 
    4400      394   0.77874089    -5.257629     -5.12718  -0.67739426 
    4500      395    1.0157317   -5.2445238   -5.0709494   -0.5922696 
    4600      396    1.1447586   -5.2710072   -5.0715417  -0.62651602 
    4700      397    1.1902582    -5.311166   -5.0997978   -0.7459111 
    4800      398   0.95725223   -5.2619858   -5.0888146  -0.49253005 
    4900      399    1.0409188    -5.271542   -5.0797938  -0.56590831 
    5000      400    1.0870091   -5.2619328   -5.0581186  -0.61273172 
    5100      401   0.90909459   -5.3465255   -5.1730948  -0.61196826 
    5200      402   0.86456113   -5.2535951   -5.0858445  -0.47565663 
    5300      403   0.92212118     -5.27055   -5.0886427  -0.55555966 
    5400      404   0.96914771   -5.2702613    -5.075952  -0.58082428 
    5500      405   0.96828577    -5.263648   -5.0664046  -0.59818023 
    5600      406    1.0567855   -5.2988668   -5.0802215  -0.76787404 
    5700      407    1.0085537   -5.2053833   -4.9935127  -0.55232589 
    5800      408   0.86382168   -5.2038339   -5.0196367  -0.58471077 
    5900      409   0.98477929   -5.1862354   -4.9731475  -0.54570637 
    6000      410    1.0777582   -5.2410631    -5.004482   -0.6711063 
    6100      411    1.1113596   -5.1775001   -4.9300806  -0.54007427 
    6200      412   0.86878402   -5.1939794   -4.9978704  -0.64766373 
    6300      413    1.0174495   -5.2156346   -4.9828284  -0.60249161 
    6400      414    1.1184824   -5.2250149   -4.9656567  -0.64875897 
    6500      415    1.1607873   -5.2674286   -4.9947135  -0.65956525 
    6600      416   0.98987615   -5.2384031   -5.0028316  -0.66246801 
    6700      417   0.86291514   -5.2362314   -5.0282627  -0.56707491 
    6800      418   0.97203041   -5.2323576   -4.9951636  -0.54330037 
    6900      419   0.92972764   -5.2416508   -5.0119926  -0.58029478 
    7000      420    1.1472637   -5.3052417   -5.0184258  -0.64366532 
    7100      421    0.9275385   -5.3077824   -5.0731438  -0.54374736 
    7200      422   0.91492781   -5.3012606   -5.0671084  -0.55376032 
    7300      423   0.85621578   -5.3016071   -5.0799626  -0.56221777 
    7400      424   0.94571335   -5.2212917   -4.9737111  -0.52202896 
    7500      425    1.0819864   -5.2109452    -4.924537  -0.47511017 
    7600      426    1.1449289   -5.2138905   -4.9075011  -0.62518982 
    7700      427   0.98061711   -5.2129268   -4.9476779  -0.56003723 
    7800      428    1.0450011   -5.1652647   -4.8795985  -0.51780393 
    7900      429   0.98731276   -5.1520883    -4.879369  -0.46982802 
    8000      430     1.058201   -5.2605391   -4.9652272  -0.69798004 
    8100      431    1.1031976   -5.2428971   -4.9319029  -0.64564967 
    8200      432   0.99653694   -5.2790505   -4.9953143  -0.70353076 
    8300      433    1.2188348   -5.2664086   -4.9159584  -0.56779776 
    8400      434    1.0610032   -5.2291848   -4.9211516  -0.44040649 
    8500      435   0.88475193   -5.2938308    -5.034507  -0.70250793 
    8600      436   0.98427323   -5.2350748   -4.9438564  -0.54824635 
    8700      437   0.99048279   -5.2379591   -4.9421742  -0.68060327 
    8800      438   0.92407001   -5.1922203   -4.9137335  -0.67045436 
    8900      439   0.99630902   -5.1772321   -4.8742543  -0.66221601 
    9000      440   0.95766319   -5.1605694   -4.8667409  -0.68216304 
    9100      441    1.0231065   -5.1295203   -4.8128445  -0.52553274 
    9200      442   0.87783667   -5.1084284   -4.8343527  -0.54144063 
    9300      443   0.93581944   -5.1737089   -4.8790208  -0.68780812 
    9400      444   0.99373921   -5.1548474    -4.839268  -0.57996189 
    9500      445   0.95187515   -5.1408039   -4.8359899  -0.56491542 
    9600      446   0.91625338   -5.1555381   -4.8597074  -0.62931435 
    9700      447    0.9526195   -5.1025432   -4.7924624  -0.51046895 
    9800      448   0.97167962    -5.185173   -4.8663406  -0.56989109 
    9900      449    1.0038671   -5.1540302   -4.8220162  -0.56356384 
   10000      450   0.95642062   -5.2046982   -4.8858913  -0.70500643 
Loop time of 6.17726 on 1 procs for 10000 steps with 450 atoms

Performance: 699339.360 tau/day, 1618.841 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 3.1708     | 3.1708     | 3.1708     |   0.0 | 51.33
Neigh   | 2.6376     | 2.6376     | 2.6376     |   0.0 | 42.70
Comm    | 0.18927    | 0.18927    | 0.18927    |   0.0 |  3.06
Output  | 0.0013239  | 0.0013239  | 0.0013239  |   0.0 |  0.02
Modify  | 0.13663    | 0.13663    | 0.13663    |   0.0 |  2.21
Other   |            | 0.04162    |            |       |  0.67

Nlocal:    450 ave 450 max 450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1973 ave 1973 max 1973 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    29176 ave 29176 max 29176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 29176
Ave neighs/atom = 64.8356
Neighbor list builds = 1143
Dangerous builds = 0
Total wall time: 0:00:06
